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Hybrid modeling provides an effective solution to cope with multiple time scales dynamics in systems biology. Among the applications of this method, one of the most important is the cell cycle regulation. The machinery of the cell cycle,…

Computational Engineering, Finance, and Science · Computer Science 2013-09-05 Vincent Noël , Sergey Vakulenko , Ovidiu Radulescu

Machine learning (ML) has emerged as a pervasive tool in science, engineering, and beyond. Its success has also led to several synergies with molecular dynamics (MD) simulations, which we use to identify and characterize the major…

Biomolecules · Quantitative Biology 2022-05-09 Christopher Kolloff , Simon Olsson

In the present paper, our goal is to establish a framework for the mathematical modelling and the analysis of the spread of an epidemic in a large population commuting regularly, typically along a time-periodic pattern, as is roughly…

Populations and Evolution · Quantitative Biology 2024-08-29 Pierre-Alexandre Bliman , Boureima Sangaré , Assane Savadogo

Understanding kinetics and thermodynamics profile of biomolecules is necessary to understand their functional roles which has a major impact in mechanism driven drug discovery. Molecular dynamics simulation has been routinely used to…

Biomolecules · Quantitative Biology 2021-12-07 Soumendranath Bhakat

Molecular dynamics (MD) has become a powerful tool for studying biophysical systems, due to increasing computational power and availability of software. Although MD has made many contributions to better understanding these complex…

Computational Physics · Physics 2019-09-27 Yihang Wang , Joao Marcelo Lamim Ribeiro , Pratyush Tiwary

At its core, the physics paradigm adopts a reductionist approach, aiming to understand fundamental phenomena by decomposing them into simpler, elementary processes. While this strategy has been tremendously successful in physics, it has…

Biological Physics · Physics 2025-12-10 Ramón Nartallo-Kaluarachchi , Renaud Lambiotte , Alain Goriely

Mathematical modeling in cancer has been growing in popularity and impact since its inception in 1932. The first theoretical mathematical modeling in cancer research was focused on understanding tumor growth laws and has grown to include…

Tissues and Organs · Quantitative Biology 2013-05-22 Jacob G. Scott , Philip Gerlee , David Basanta , Alexander G. Fletcher , Philip K. Maini , Alexander RA Anderson

In this article, the notion of a mathematical model in science is attempted to be enlightened from several points of view. In particular, it is shown that mathematical models are introduced differently and used differently in different…

History and Overview · Mathematics 2022-05-25 Inge S. Helland

This paper is a first step to chase the ambitious objective of developing a mathmatical theory of living systems. The contents refer modeling large systems of interacting living entities with the aim of describing their collective behaviors…

There are numerous scenarios in which populations of cells migrate in crowded environments. Typical examples include wound healing, cancer growth and embryo development. In these crowded environments cells are able to interact with each…

Cell Behavior · Quantitative Biology 2019-07-03 Christian A. Yates , George Chappelle

Scientific Machine Learning (SciML) is a recently emerged research field which combines physics-based and data-driven models for the numerical approximation of differential problems. Physics-based models rely on the physical understanding…

Numerical Analysis · Mathematics 2025-04-04 Alfio Quarteroni , Paola Gervasio , Francesco Regazzoni

Most modeling approaches lie in either of the two categories: physics-based or data-driven. Recently, a third approach which is a combination of these deterministic and statistical models is emerging for scientific applications. To leverage…

Computational Physics · Physics 2021-03-29 Omer San , Adil Rasheed , Trond Kvamsdal

The excessive amounts of data generated by devices and Internet-based sources at a regular basis constitute, big data. This data can be processed and analyzed to develop useful applications for specific domains. Several mathematical and…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-12-15 Samiya Khan , Kashish Ara Shakil , Mansaf Alam

Can machine learning help discover new mathematical structures? In this article we discuss an approach to doing this which one can call "mathematical data science". In this paradigm, one studies mathematical objects collectively rather than…

History and Overview · Mathematics 2025-02-14 Michael R. Douglas , Kyu-Hwan Lee

As new technologies move to the fore, our understanding of the world may seem to have shrunk in comparison, for despite new developments in research, much of it is reduced or rather, abstracted for marketability. Thus, the purpose of this…

Computers and Society · Computer Science 2017-01-24 Katherine Hughes

Computational multiscale methods for analyzing and deriving constitutive responses have been used as a tool in engineering problems because of their ability to combine information at different length scales. However, their application in a…

Machine Learning · Statistics 2021-08-03 Jan Niklas Fuhg , Christoph Boehm , Nikolaos Bouklas , Amelie Fau , Peter Wriggers , Michele Marino

The modeling of the spreading of communicable diseases has experienced significant advances in the last two decades or so. This has been possible due to the proliferation of data and the development of new methods to gather, mine and…

Physics and Society · Physics 2020-09-09 Alberto Aleta , Guilherme Ferraz de Arruda , Yamir Moreno

Within the biological, physical, and social sciences, there are two broad quantitative traditions: statistical and mathematical modeling. Both traditions have the common pursuit of advancing our scientific knowledge, but these traditions…

Other Statistics · Statistics 2026-03-05 Paul N Zivich

A variety of computational models have been developed to describe active matter at different length and time scales. The diversity of the methods and the challenges in modeling active matter---ranging from molecular motors and cytoskeletal…

Soft Condensed Matter · Physics 2020-04-21 M Reza Shaebani , Adam Wysocki , Roland G Winkler , Gerhard Gompper , Heiko Rieger

Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…

Chemical Physics · Physics 2018-12-20 Michael Gastegger , Philipp Marquetand
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